Benzothiazole
TL;DR: Benzothiazole (CAS 95-16-9) is a chemical compound with molecular formula C7H5NS and molecular weight 135.01427 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1,3-benzothiazole
Also Known As: BENZOTHIAZOLE, BENZO[D]THIAZOLE, 1,3-Benzothiazole, Benzosulfonazole, Vangard BT
Application Areas
Top 5 of 22 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C7H5NS |
| Molecular Weight | 135.01427 g/mol |
| XLogP | 2.0 |
| Topological Polar Surface Area (TPSA) | 41.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 135.01427 Da |
| Heavy Atoms | 9 |
| Complexity | 105.0 |
| Melting Point | 2 °C |
| Boiling Point | 227-228 °C AT 765 MM HG |
| Density | 1.246 AT 20 °C/4 °C |
| Vapor Pressure | 0.01 [mmHg] |
| Refractive Index | INDEX OF REFRACTION: 1.6379 AT 20 °C/D |
| Solubility | SLIGHTLY SOL IN WATER; SOL IN ALC, CARBON DISULFIDE |
| SMILES | C1=CC=C2C(=C1)N=CS2 |
| InChIKey | IOJUPLGTWVMSFF-UHFFFAOYSA-N |
Product Description
Applications: Benzothiazole is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Benzothiazole (CAS 95-16-9) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
A heterocyclic building block supplied by CoreyChem, Benzothiazole (CAS 95-16-9) has the molecular formula C7H5NS and a molecular weight of 135.01 g/mol. Reported properties include a density of 1.246 AT 20 °C/4 °C g/cm³, a solubility: SLIGHTLY SOL IN WATER; SOL IN ALC, CARBON DISULFIDE. It is also known as BENZOTHIAZOLE and BENZO[D]THIAZOLE.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of Benzothiazole
Property Insights of Benzothiazole
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzothiazole. With a topological polar surface area (TPSA) of 41.1 Ų, Benzothiazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzothiazole has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Benzothiazole?
The CAS number of Benzothiazole is 95-16-9.
What is the molecular formula of Benzothiazole?
The molecular formula of Benzothiazole is C7H5NS.
What is the molecular weight of Benzothiazole?
The molecular weight of Benzothiazole is 135.01427 g/mol.
What are the applications of Benzothiazole?
Benzothiazole is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Benzothiazole (CAS 95-16-9) with custom...
Where can I buy Benzothiazole?
You can request a quote for Benzothiazole directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Benzothiazole?
Yes, CoreyChem provides custom synthesis services for Benzothiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.